4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

C15H16F2N6O — CID 154828770

IUPAC4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(c3ncc(F)cn3)CC2)nc(C2CC2)c1F
InChIInChI=1S/C15H16F2N6O/c16-10-7-18-14(19-8-10)22-3-5-23(6-4-22)15-20-12(9-1-2-9)11(17)13(24)21-15/h7-9H,1-6H2,(H,20,21,24)
InChIKeyBEZYACTZWUCXRD-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.04
Rot. Bonds3

About 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one

4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 154828770) has the molecular formula C15H16F2N6O and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID154828770
Molecular FormulaC15H16F2N6O
Molecular Weight334.33 g/mol
Exact Mass334.14
IUPAC Name4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCN(c3ncc(F)cn3)CC2)nc(C2CC2)c1F
InChIInChI=1S/C15H16F2N6O/c16-10-7-18-14(19-8-10)22-3-5-23(6-4-22)15-20-12(9-1-2-9)11(17)13(24)21-15/h7-9H,1-6H2,(H,20,21,24)
InChIKeyBEZYACTZWUCXRD-UHFFFAOYSA-N
XLogP1.04
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 154828770) is 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]c(N2CCN(c3ncc(F)cn3)CC2)nc(C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BEZYACTZWUCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O/c16-10-7-18-14(19-8-10)22-3-5-23(6-4-22)15-20-12(9-1-2-9)11(17)13(24)21-15/h7-9H,1-6H2,(H,20,21,24).
What are the key properties of 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 334.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154828770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).